(2S,3S)-5-azanyl-2-(1,3-benzothiazol-2-ylcarbonyl)-3-(4-methylphenyl)-2,3-dihydrothiophene-4-carbonitrile

Systemtic Name: (2S,3S)-5-azanyl-2-(1,3-benzothiazol-2-ylcarbonyl)-3-(4-methylphenyl)-2,3-dihydrothiophene-4-carbonitrile Openeye Name: (2S,3S)-5-amino-2-(1,3-benzothiazole-2-carbonyl)-3-(p-tolyl)-2,3-dihydrothiophene-4-carbonitrile CAS Name: (2S,3S)-5-amino-2-[1,3-benzothiazol-2-yl(oxo)methyl]-3-(4-methylphenyl)-2,3-dihydrothiophene-4-carbonitrile IUPAC Name: (2S,3S)-5-amino-2-(1,3-benzothiazole-2-carbonyl)-3-(4-methylphenyl)-2,3-dihydrothiophene-4-carbonitrile Traditional Name: (2S,3S)-5-amino-2-(1,3-benzothiazole-2-carbonyl)-3-(p-tolyl)-2,3-dihydrothiophene-4-carbonitrile Formula: C20H15N3OS2 MolecularWeight: 377.4826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(SC(=C2C#N)N)C(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@H](SC(=C2C#N)N)C(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15N3OS2/c1-11-6-8-12(9-7-11)16-13(10-21)19(22)26-18(16)17(24)20-23-14-4-2-3-5-15(14)25-20/h2-9,16,18H,22H2,1H3/t16-,18-/m0/s1